(5Z)-3-methyl-2-methylimino-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one

C13H14N2OS2 — CID 2410272

IUPAC(5Z)-3-methyl-2-methylimino-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESC/N=C1/S/C(=C\c2ccc(SC)cc2)C(=O)N1C
InChIInChI=1S/C13H14N2OS2/c1-14-13-15(2)12(16)11(18-13)8-9-4-6-10(17-3)7-5-9/h4-8H,1-3H3/b11-8-,14-13+
InChIKeyDQTOHGWIKMEGKA-KBABRGLLSA-N
MW278.40 g/mol
LogP2.94
Rot. Bonds2

About (5Z)-3-methyl-2-methylimino-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one

(5Z)-3-methyl-2-methylimino-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one (PubChem CID 2410272) has the molecular formula C13H14N2OS2 and a molecular weight of 278.40 g/mol. Its IUPAC name is (5Z)-3-methyl-2-methylimino-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name(5Z)-3-methyl-2-methylimino-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one
PubChem CID2410272
Molecular FormulaC13H14N2OS2
Molecular Weight278.40 g/mol
Exact Mass278.05
IUPAC Name(5Z)-3-methyl-2-methylimino-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one
SMILESC/N=C1/S/C(=C\c2ccc(SC)cc2)C(=O)N1C
InChIInChI=1S/C13H14N2OS2/c1-14-13-15(2)12(16)11(18-13)8-9-4-6-10(17-3)7-5-9/h4-8H,1-3H3/b11-8-,14-13+
InChIKeyDQTOHGWIKMEGKA-KBABRGLLSA-N
XLogP2.94
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methylphenyl)thio]-N-(4-oxo-4,5-dihydro-1,3-thiazol-2-yl)acetamide
CID 135455148
(5E)-5-benzylidene-2-(dimethylamino)-1,3-thiazol-4(5H)-one
CID 6368637
2-(methylsulfanyl)-5-{(Z)-[4-(methylsulfanyl)phenyl]methylidene}-1,3-thiazol-4-one
CID 5915184
(2Z,5Z)-3-Ethyl-2-(ethylimino)-5-[(4-fluorophenyl)methylidene]-1,3-thiazolidin-4-one
CID 2143059
(2E,5E)-5-[(3-Fluorophenyl)methylidene]-3-methyl-2-(methylimino)-1,3-thiazolidin-4-one
CID 21208558
(5Z)-5-[(3-fluorophenyl)methylidene]-3-methyl-2-methylimino-1,3-thiazolidin-4-one
CID 92976719
(5Z)-5-benzylidene-2-(dimethylamino)thiazol-4-one
CID 5797514
3-Methyl-5-[4-(methylthio)benzylidene]-1,3-thiazolidine-2,4-dione
CID 2171470
(5Z)-2-amino-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazol-4-one
CID 2470815
(5Z)-3-ethyl-5-[4-(methylsulfanyl)benzylidene]-2-thioxo-1,3-thiazolidin-4-one
CID 2534666
(5E)-3-ethyl-5-[(4-methylsulfanylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2534668
(2Z)-2-[(4-methylsulfanylphenyl)methylidene]-5,6-dihydroimidazo[2,1-b][1,3]thiazol-3-one
CID 101547891

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-methyl-2-methylimino-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one?
The IUPAC name of (5Z)-3-methyl-2-methylimino-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one (CID 2410272) is (5Z)-3-methyl-2-methylimino-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one.
What is the SMILES notation for (5Z)-3-methyl-2-methylimino-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one?
The canonical SMILES for (5Z)-3-methyl-2-methylimino-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one is C/N=C1/S/C(=C\c2ccc(SC)cc2)C(=O)N1C.
What is the InChIKey of (5Z)-3-methyl-2-methylimino-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one?
The InChIKey is DQTOHGWIKMEGKA-KBABRGLLSA-N. The full InChI is InChI=1S/C13H14N2OS2/c1-14-13-15(2)12(16)11(18-13)8-9-4-6-10(17-3)7-5-9/h4-8H,1-3H3/b11-8-,14-13+.
What are the key properties of (5Z)-3-methyl-2-methylimino-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one?
(5Z)-3-methyl-2-methylimino-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one has a molecular weight of 278.40 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-methyl-2-methylimino-5-[(4-methylsulfanylphenyl)methylidene]-1,3-thiazolidin-4-one is sourced from PubChem (CID 2410272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).